(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
Formula:C23H16N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one |
| MolecularFormula | C23H16N2O3S |
| Smiles | O=C(/C(/S/C1=N\c2ccccc2)=C\c(cc2)cc3c2OCO3)N1c1ccccc1 |
| InChI | InChI=1S/C23H16N2O3S/c26-22-21(14-16-11-12-19-20(13-16)28-15-27-19)29-23(24-17-7-3-1-4-8-17)25(22)18-9-5-2-6-10-18/h1-14H,15H2 |
| InChIK | OYLOYUKNSMPYKK-UHFFFAOYSA-N |
| TotalMolweight | 400.457 |
| Molweight | 400.457 |
| MonoisotopicMass | 400.088163 |
| CLogP | 4.7894 |
| CLogS | -6.561 |
| H Acceptors | 5 |
| TotalSurfaceArea | 292.76 |
| Relative PSA | 0.22404 |
| PolarSurfaceArea | 76.43 |
| Druglikeness | 3.2894 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one | 2 - (5E)-5-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
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